7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine

C26H24BrCl2N7O — CID 158548507

IUPAC7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C18H20ClN5O.C8H4BrClN2/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-3,10-13H,1,4-9H2;1-4H
InChIKeyHPKTUDRGBSEJTG-UHFFFAOYSA-N
MW601.34 g/mol
LogP5.91
Rot. Bonds5

About 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine

7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine (PubChem CID 158548507) has the molecular formula C26H24BrCl2N7O and a molecular weight of 601.34 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
PubChem CID158548507
Molecular FormulaC26H24BrCl2N7O
Molecular Weight601.34 g/mol
Exact Mass599.06
IUPAC Name7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C18H20ClN5O.C8H4BrClN2/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-3,10-13H,1,4-9H2;1-4H
InChIKeyHPKTUDRGBSEJTG-UHFFFAOYSA-N
XLogP5.91
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.34
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine (CID 158548507) is 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine is Clc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The InChIKey is HPKTUDRGBSEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O.C8H4BrClN2/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h2-3,10-13H,1,4-9H2;1-4H.
What are the key properties of 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine has a molecular weight of 601.34 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-1,5-naphthyridine;4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 158548507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).